N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine

C18H20N6 — CID 144889387

IUPACN-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C
InChIInChI=1S/C18H20N6/c1-4-19-16-9-15(11-22-12(16)2)14-5-7-21-18(10-14)24-17-6-8-20-13(3)23-17/h5-11,19H,4H2,1-3H3,(H,20,21,23,24)
InChIKeyLAYGBLGHJWKCDV-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.73
Rot. Bonds5

About N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine

N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine (PubChem CID 144889387) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
PubChem CID144889387
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C
InChIInChI=1S/C18H20N6/c1-4-19-16-9-15(11-22-12(16)2)14-5-7-21-18(10-14)24-17-6-8-20-13(3)23-17/h5-11,19H,4H2,1-3H3,(H,20,21,23,24)
InChIKeyLAYGBLGHJWKCDV-UHFFFAOYSA-N
XLogP3.73
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine (CID 144889387) is N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine is CCNc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.
What is the InChIKey of N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
The InChIKey is LAYGBLGHJWKCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-4-19-16-9-15(11-22-12(16)2)14-5-7-21-18(10-14)24-17-6-8-20-13(3)23-17/h5-11,19H,4H2,1-3H3,(H,20,21,23,24).
What are the key properties of N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 144889387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).